2-(2-methylpropyl)-4-oxidanylidene-5-(triphenylmethyl)sulfanyl-pentanoic acid

Systemtic Name: 2-(2-methylpropyl)-4-oxidanylidene-5-(triphenylmethyl)sulfanyl-pentanoic acid Openeye Name: 2-isobutyl-4-oxo-5-tritylsulfanyl-pentanoic acid CAS Name: 2-(2-methylpropyl)-4-oxo-5-[(triphenylmethyl)thio]pentanoic acid IUPAC Name: 2-(2-methylpropyl)-4-oxo-5-tritylsulfanylpentanoic acid Traditional Name: 2-isobutyl-4-keto-5-(tritylthio)valeric acid Formula: C28H30O3S MolecularWeight: 446.601

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC(=O)CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(C)CC(CC(=O)CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C28H30O3S/c1-21(2)18-22(27(30)31)19-26(29)20-32-28(23-12-6-3-7-13-23,24-14-8-4-9-15-24)25-16-10-5-11-17-25/h3-17,21-22H,18-20H2,1-2H3,(H,30,31)